[(1R,2S)-1-carbamoyloxy-5,7-dichloro-2,3-dihydro-1H-inden-2-yl] carbamate

C11H10Cl2N2O4 — CID 134294957

IUPAC[(1R,2S)-1-carbamoyloxy-5,7-dichloro-2,3-dihydro-1H-inden-2-yl] carbamate
SMILESNC(=O)O[C@H]1Cc2cc(Cl)cc(Cl)c2[C@H]1OC(N)=O
InChIInChI=1S/C11H10Cl2N2O4/c12-5-1-4-2-7(18-10(14)16)9(19-11(15)17)8(4)6(13)3-5/h1,3,7,9H,2H2,(H2,14,16)(H2,15,17)/t7-,9-/m0/s1
InChIKeyOTPNOIKRNWTQKI-CBAPKCEASA-N
MW305.12 g/mol
LogP2.15
Rot. Bonds2

About [(1R,2S)-1-carbamoyloxy-5,7-dichloro-2,3-dihydro-1H-inden-2-yl] carbamate

[(1R,2S)-1-carbamoyloxy-5,7-dichloro-2,3-dihydro-1H-inden-2-yl] carbamate (PubChem CID 134294957) has the molecular formula C11H10Cl2N2O4 and a molecular weight of 305.12 g/mol. Its IUPAC name is [(1R,2S)-1-carbamoyloxy-5,7-dichloro-2,3-dihydro-1H-inden-2-yl] carbamate.

Molecular Properties

Compound Name[(1R,2S)-1-carbamoyloxy-5,7-dichloro-2,3-dihydro-1H-inden-2-yl] carbamate
PubChem CID134294957
Molecular FormulaC11H10Cl2N2O4
Molecular Weight305.12 g/mol
Exact Mass304.00
IUPAC Name[(1R,2S)-1-carbamoyloxy-5,7-dichloro-2,3-dihydro-1H-inden-2-yl] carbamate
SMILESNC(=O)O[C@H]1Cc2cc(Cl)cc(Cl)c2[C@H]1OC(N)=O
InChIInChI=1S/C11H10Cl2N2O4/c12-5-1-4-2-7(18-10(14)16)9(19-11(15)17)8(4)6(13)3-5/h1,3,7,9H,2H2,(H2,14,16)(H2,15,17)/t7-,9-/m0/s1
InChIKeyOTPNOIKRNWTQKI-CBAPKCEASA-N
XLogP2.15
TPSA104.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.12
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(1R,2S)-7-chloro-1-(methoxymethoxy)-2,3-dihydro-1H-inden-2-yl] carbamate
CID 134294946
[(1R,2S)-7-chloro-2-hydroxy-2,3-dihydro-1H-inden-1-yl] carbamate
CID 134294937
[(1S,2S)-1-[tert-butyl(diphenyl)silyl]oxy-7-chloro-2,3-dihydro-1H-inden-2-yl] carbamate
CID 140845764
(1S,2R)-2-amino-5,7-dichloro-2,3-dihydro-1H-inden-1-ol
CID 51600789
[(1S,2R)-1-carbamoyloxy-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl] carbamate
CID 134294908
5,7-dichloro-2,3-dihydro-1H-indene-1-carboxylic acid
CID 71239467
(1aS,6aR)-2,4-dichloro-6,6a-dihydro-1aH-indeno[1,2-b]oxirene
CID 89444035
[(1S,2R)-7-chloro-1-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl] carbamate
CID 134294881
(1-tert-butyl-7-chloro-2-sulfanylidene-4,5-dihydro-3H-1-benzazepin-4-yl) carbamate
CID 167529557
[(3S,4S)-4-hydroxypyrrolidin-3-yl] carbamate
CID 89405614
[(1R,2R)-2-methylcyclopropyl] carbamate
CID 171719227
[2-(3,5-dichloro-2-hydroxyphenyl)-1,3-thiazolidin-4-yl] hydrogen carbonate
CID 70512452

Frequently Asked Questions

What is the IUPAC name of [(1R,2S)-1-carbamoyloxy-5,7-dichloro-2,3-dihydro-1H-inden-2-yl] carbamate?
The IUPAC name of [(1R,2S)-1-carbamoyloxy-5,7-dichloro-2,3-dihydro-1H-inden-2-yl] carbamate (CID 134294957) is [(1R,2S)-1-carbamoyloxy-5,7-dichloro-2,3-dihydro-1H-inden-2-yl] carbamate.
What is the SMILES notation for [(1R,2S)-1-carbamoyloxy-5,7-dichloro-2,3-dihydro-1H-inden-2-yl] carbamate?
The canonical SMILES for [(1R,2S)-1-carbamoyloxy-5,7-dichloro-2,3-dihydro-1H-inden-2-yl] carbamate is NC(=O)O[C@H]1Cc2cc(Cl)cc(Cl)c2[C@H]1OC(N)=O.
What is the InChIKey of [(1R,2S)-1-carbamoyloxy-5,7-dichloro-2,3-dihydro-1H-inden-2-yl] carbamate?
The InChIKey is OTPNOIKRNWTQKI-CBAPKCEASA-N. The full InChI is InChI=1S/C11H10Cl2N2O4/c12-5-1-4-2-7(18-10(14)16)9(19-11(15)17)8(4)6(13)3-5/h1,3,7,9H,2H2,(H2,14,16)(H2,15,17)/t7-,9-/m0/s1.
What are the key properties of [(1R,2S)-1-carbamoyloxy-5,7-dichloro-2,3-dihydro-1H-inden-2-yl] carbamate?
[(1R,2S)-1-carbamoyloxy-5,7-dichloro-2,3-dihydro-1H-inden-2-yl] carbamate has a molecular weight of 305.12 g/mol, XLogP of 2.15, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S)-1-carbamoyloxy-5,7-dichloro-2,3-dihydro-1H-inden-2-yl] carbamate is sourced from PubChem (CID 134294957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).